C13H21N7OS
TL;DR: C13H21N7OS (CAS 1002032-59-8) is a chemical compound with molecular formula C13H21N7OS and molecular weight 323.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
Also Known As: 2-{[5-(1,5-DIMETHYL-1H-PYRAZOL-3-YL)-4-ISOBUTYL-4H-1,2,4-TRIAZOL-3-YL]THIO}ACETOHYDRAZIDE, 2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, 2-((5-(1,5-Dimethyl-1h-pyrazol-3-yl)-4-isobutyl-4h-1,2,4-triazol-3-yl)thio)acetohydrazide, 2-[[5-(1,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide, 2-[[5-(1,5-dimethylpyrazol-3-yl)-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
| Molecular Formula | C13H21N7OS |
|---|---|
| Molecular Weight | 323.15 g/mol |
| LogP | 0.72502 |
| Topological Polar Surface Area | 103.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.15283 |
| Heavy Atoms | 22 |
| Complexity | 641.8929 |
Chemical Identifiers
| CAS Number | 1002032-59-8 |
|---|---|
| SMILES | CC1=CC(=NN1C)C2=NN=C(N2CC(C)C)SCC(=O)NN |
Product Overview
C13H21N7OS (CAS 1002032-59-8), with molecular formula C13H21N7OS and molecular weight 323.15 g/mol. IUPAC: 2-[[5-(1,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide.
Chemical Property Profile of C13H21N7OS
Property Insights of C13H21N7OS
The XLogP value of 0.72502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C13H21N7OS. The TPSA of 103.65 Ų falls within the moderate polarity range, balancing permeability and solubility for C13H21N7OS. Following Lipinski's Rule of Five, C13H21N7OS has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C13H21N7OS?
The CAS number of C13H21N7OS is 1002032-59-8.
What is the molecular formula of C13H21N7OS?
The molecular formula of C13H21N7OS is C13H21N7OS.
What is the molecular weight of C13H21N7OS?
The molecular weight of C13H21N7OS is 323.15 g/mol.
Where can I buy C13H21N7OS?
You can request a quote for C13H21N7OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13H21N7OS?
Yes, KEHONG BIO provides custom synthesis services for C13H21N7OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.